Type:
---AlogP:
1.17Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.50DETAILS
ALA3186705Name:
1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-olCas Number:
464-45-9Mol. Formula:
C10H18OM.W.:
154.25Type:
Small moleculeAlogP:
2.19Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
4.57Polar Surface Area:
115.70HBA:
12HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
Small moleculeAlogP:
3.45Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
Small moleculeAlogP:
4.39Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS- ALA1908035
Name:
5beta-Androstane-3alpha,16alpha-diol-17-oneCas Number:
14167-50-1Mol. Formula:
C19H30O3M.W.:
306.45Type:
Small moleculeAlogP:
2.93Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
4.39Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
4.39Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA1908021
Name:
5-(p-OH-phenyl)-5-phenylhydantoinCas Number:
2784-27-2Mol. Formula:
C15H12N2O3M.W.:
268.27Type:
Small moleculeAlogP:
1.48Polar Surface Area:
78.43HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA1908020
Name:
5-(m-OH-phenyl)-5-phenylhydantoinCas Number:
30074-03-4Mol. Formula:
C15H12N2O3M.W.:
268.27Type:
Small moleculeAlogP:
1.48Polar Surface Area:
78.43HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA1908004
Name:
16alpha-HydroxypregnenoloneCas Number:
520-88-7Mol. Formula:
C21H32O3M.W.:
332.48Type:
Small moleculeAlogP:
3.49Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
1.17Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
2.19Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
2.44Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
2.05Polar Surface Area:
41.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
4.14Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
5.79Polar Surface Area:
38.69HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.54DETAILS
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